5-nitro-2-thiomorpholin-4-yl-benzoic acid

Systemtic Name: 5-nitro-2-thiomorpholin-4-yl-benzoic acid Openeye Name: 5-nitro-2-thiomorpholino-benzoic acid CAS Name: 5-nitro-2-thiomorpholin-4-ylbenzoic acid IUPAC Name: 5-nitro-2-thiomorpholin-4-ylbenzoic acid Traditional Name: 5-nitro-2-thiomorpholino-benzoic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N2O4S/c14-11(15)9-7-8(13(16)17)1-2-10(9)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)